4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C24H31N3O2 — CID 56518367

IUPAC4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-26-14-16-27(17-15-26)23-9-5-2-6-20(23)18-25-24(28)19-10-12-22(13-11-19)29-21-7-3-4-8-21/h2,5-6,9-13,21H,3-4,7-8,14-18H2,1H3,(H,25,28)
InChIKeyLKTMXMMWIBFJBM-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.69
Rot. Bonds6

About 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56518367) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56518367
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2ccc(OC3CCCC3)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-26-14-16-27(17-15-26)23-9-5-2-6-20(23)18-25-24(28)19-10-12-22(13-11-19)29-21-7-3-4-8-21/h2,5-6,9-13,21H,3-4,7-8,14-18H2,1H3,(H,25,28)
InChIKeyLKTMXMMWIBFJBM-UHFFFAOYSA-N
XLogP3.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazole-5-carboxamide
CID 86711000
4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548796
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55983758
2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 56518163
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517485
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 56523344
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
1-ethylsulfonyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 56517124
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56518367) is 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is CN1CCN(c2ccccc2CNC(=O)c2ccc(OC3CCCC3)cc2)CC1.
What is the InChIKey of 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is LKTMXMMWIBFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-26-14-16-27(17-15-26)23-9-5-2-6-20(23)18-25-24(28)19-10-12-22(13-11-19)29-21-7-3-4-8-21/h2,5-6,9-13,21H,3-4,7-8,14-18H2,1H3,(H,25,28).
What are the key properties of 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56518367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).